6-(3-hydroxyprop-1-enyl)-3H-2-benzofuran-1-one

C11H10O3 — CID 169453460

IUPAC6-(3-hydroxyprop-1-enyl)-3H-2-benzofuran-1-one
SMILESO=C1OCc2ccc(C=CCO)cc21
InChIInChI=1S/C11H10O3/c12-5-1-2-8-3-4-9-7-14-11(13)10(9)6-8/h1-4,6,12H,5,7H2
InChIKeyXLMMMDPMXWZKNS-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.36
Rot. Bonds2

About 6-(3-hydroxyprop-1-enyl)-3H-2-benzofuran-1-one

6-(3-hydroxyprop-1-enyl)-3H-2-benzofuran-1-one (PubChem CID 169453460) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 6-(3-hydroxyprop-1-enyl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6-(3-hydroxyprop-1-enyl)-3H-2-benzofuran-1-one
PubChem CID169453460
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name6-(3-hydroxyprop-1-enyl)-3H-2-benzofuran-1-one
SMILESO=C1OCc2ccc(C=CCO)cc21
InChIInChI=1S/C11H10O3/c12-5-1-2-8-3-4-9-7-14-11(13)10(9)6-8/h1-4,6,12H,5,7H2
InChIKeyXLMMMDPMXWZKNS-UHFFFAOYSA-N
XLogP1.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyprop-1-enyl)-3H-2-benzofuran-1-one?
The IUPAC name of 6-(3-hydroxyprop-1-enyl)-3H-2-benzofuran-1-one (CID 169453460) is 6-(3-hydroxyprop-1-enyl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 6-(3-hydroxyprop-1-enyl)-3H-2-benzofuran-1-one?
The canonical SMILES for 6-(3-hydroxyprop-1-enyl)-3H-2-benzofuran-1-one is O=C1OCc2ccc(C=CCO)cc21.
What is the InChIKey of 6-(3-hydroxyprop-1-enyl)-3H-2-benzofuran-1-one?
The InChIKey is XLMMMDPMXWZKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-5-1-2-8-3-4-9-7-14-11(13)10(9)6-8/h1-4,6,12H,5,7H2.
What are the key properties of 6-(3-hydroxyprop-1-enyl)-3H-2-benzofuran-1-one?
6-(3-hydroxyprop-1-enyl)-3H-2-benzofuran-1-one has a molecular weight of 190.20 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyprop-1-enyl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 169453460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).